2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine

C17H22N4O — CID 68594980

IUPAC2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine
SMILESCC(C)Oc1ccc(C2CNCCN2c2cnccn2)cc1
InChIInChI=1S/C17H22N4O/c1-13(2)22-15-5-3-14(4-6-15)16-11-19-9-10-21(16)17-12-18-7-8-20-17/h3-8,12-13,16,19H,9-11H2,1-2H3
InChIKeyNYCBHLGCNHLNDH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.41
Rot. Bonds4

About 2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine

2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine (PubChem CID 68594980) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine
PubChem CID68594980
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine
SMILESCC(C)Oc1ccc(C2CNCCN2c2cnccn2)cc1
InChIInChI=1S/C17H22N4O/c1-13(2)22-15-5-3-14(4-6-15)16-11-19-9-10-21(16)17-12-18-7-8-20-17/h3-8,12-13,16,19H,9-11H2,1-2H3
InChIKeyNYCBHLGCNHLNDH-UHFFFAOYSA-N
XLogP2.41
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine (CID 68594980) is 2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine is CC(C)Oc1ccc(C2CNCCN2c2cnccn2)cc1.
What is the InChIKey of 2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine?
The InChIKey is NYCBHLGCNHLNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13(2)22-15-5-3-14(4-6-15)16-11-19-9-10-21(16)17-12-18-7-8-20-17/h3-8,12-13,16,19H,9-11H2,1-2H3.
What are the key properties of 2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine?
2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine has a molecular weight of 298.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 68594980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).